Break-down of the born-oppenheimer approximation in the He(23S)-H2 and He(21S)-H2 autoionizing systems? (original) (raw)

Chemical Physics, 1986

Abstract

Abstract The possibility of non-adiabatic behaviour of the He(21S)-H2 and He(23S)-H2 collision systems is reexamined by means of extended diatomics-in-molecules calculations. In the triplet case, the calculations support the idea that at collision energies above ≈ 1 eV the system could behave non-adiabatically. In the singlet He*-H2 system, a break-down of the Born-Oppenheimer approximation is predicted to take place at higher energies.

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